CID 214642

33544-18-2

Structural Information

Molecular Formula
C10H5ClN4O2
SMILES
C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C3=NNN=N3
InChI
InChI=1S/C10H5ClN4O2/c11-5-1-2-8-6(3-5)7(16)4-9(17-8)10-12-14-15-13-10/h1-4H,(H,12,13,14,15)
InChIKey
OXVXNMWLJXQXFC-UHFFFAOYSA-N
Compound name
6-chloro-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

248.0101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.017376 148.9
[M+Na]+ 270.999318 162.9
[M-H]- 247.002824 151.8
[M+NH4]+ 266.043923 162.5
[M+K]+ 286.973258 157.4
[M+H-H2O]+ 231.007360 139.9
[M+HCOO]- 293.008301 164.4
[M+CH3COO]- 307.023951 161.8
[M+Na-2H]- 268.984766 157.1
[M]+ 248.00955142 153.4
[M]- 248.01064858 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe